Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_ZEBRAFISH_I50_201601 (Jan 2016)

Download : Data.csv | 3D Models


Tab legend :
    Full name of ligand selected in the comparative docking column:

    General color information : Quality: [ Good | Correct | Uncertain ]
QueryStructural Alignment (SA)3D Modeling AnnotationLigands from PDB templatesPredicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]




Query Sequence
Filter:
Significants
SA found
Seq Ident. 3D Core
(QMean Score)
Classification code

Binding Site (All) Ligands Found
(Procognate)
Profile Complexes by comparative docking
(ligands from PDB templates)

Targets
for screening


Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1Z_NR3A2_ESR2b199 70% 0.617 PF00105 C5_S1225 - (0)20 33 / 141 / 26 78
2Z_NR1C1_PPARa2199 80% 0.485 PF00105 C3_S1241 - (0)20 23 / 98 / 77 73
3Z_NR3A2_ESR2a190 69% 0.598 PF00105 C3_S1210 - (0)20 30 / 133 / 26 76
4Z_NR1C3_PPARg172 71% 0.456 PF00105 C4_S1254 - (0)20 5 / 79 / 76 70
5Z_NR1C2_PPARb2172 81% 0.541 PF00105 C3_S1251 - (0)20 18 / 90 / 60 68
6Z_NR1C2_PPARb1167 78% 0.637 PF00105 C6_S1247 - (0)20 17 / 88 / 60 67
7Z_NR3A1_ESR1139 63% 0.568 PF00105 C3_S1142 - (0)20 30 / 94 / 14 60
8Z_NR3C3_PRGR79 65% 0.565 PF00105 C5_S1128 - (0)10 2 / 71 / 8 21
9Z_NR2B2_RXRBB74 95% 0.546 PF00105 C4_S192 - (0)19 24 / 36 / 10 32
10Z_NR2B1_RXRAA74 98% 0.656 PF00105 C3_S192 - (0)20 21 / 38 / 10 31
11Z_NR2B3_RXRGA73 96% 0.548 PF00105 C5_S192 - (0)20 21 / 38 / 11 31
12Z_NR1I1_VDRB73 88% 0.584 PF00105 C4_S187 - (0)20 70 / 3 / - 55
13Z_NR1I1_VDRA73 100% 0.571 PF00105 C2_S186 - (0)20 70 / 3 / - 55
14Z_NR2B1_RXRAB73 98% 0.617 PF00105 C3_S193 - (0)20 21 / 38 / 10 31
15Z_NR2B3_RXRGB73 95% 0.533 PF00105 C3_S192 - (0)19 20 / 40 / 10 31
16Z_NR2B2_RXRBA73 89% 0.540 PF00105 C3_S192 - (0)20 21 / 37 / 10 31
17Z_NR1B1_RARAB32 91% 0.497 PF00105 C6_S150 - (0)20 22 / 8 / 2 15
18Z_NR1B1_RARAA32 91% 0.556 PF00105 C5_S150 - (0)20 22 / 8 / 2 15
19Z_NR1B3_ARGA32 93% 0.849 PF00105 C4_S150 - (0)20 23 / 8 / 1 15
20Z_NR1B3_RARGB32 92% 0.837 PF00105 C6_S150 - (0)20 23 / 8 / 1 15
21Z_NR1A2_THB16 95% 0.556 PF00105 C3_S137 - (0)9 5 / 11 / - 6
22Z_NR1A1_THAA16 89% 0.560 PF00105 C2_S139 - (0)9 4 / 12 / - 6

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